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. 2025 Jun 12;10(Pt 6):x250508. doi: 10.1107/S2414314625005085

Table 3. Experimental details.

Crystal data
Chemical formula [Pd(C5H5NO2)(C28H38N2O2P2)]·0.5C7H8
M r 760.11
Crystal system, space group Triclinic, PInline graphic
Temperature (K) 150
a, b, c (Å) 9.5548 (2), 10.7020 (3), 18.4654 (5)
α, β, γ (°) 74.0508 (10), 86.9998 (10), 76.0888 (9)
V3) 1762.06 (8)
Z 2
Radiation type Cu Kα
μ (mm−1) 5.45
Crystal size (mm) 0.19 × 0.08 × 0.03
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
Tmin, Tmax 0.42, 0.85
No. of measured, independent and observed [I > 2σ(I)] reflections 27460, 6223, 5975
R int 0.030
(sin θ/λ)max−1) 0.596
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.022, 0.057, 1.06
No. of reflections 6223
No. of parameters 456
No. of restraints 43
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.38, −0.32

Computer programs: APEX2 (Bruker, 2014), SAINT (Bruker, 2013), SHELXT (Sheldrick, 2015a), SHELXL2019/1 (Sheldrick, 2015b), XP in SHELXTL (Sheldrick, 2008) and publCIF (Westrip, 2010).